(Z)-N-(2-aminoethyl)-1-(aminomethoxy)prop-1-ene-1,3-diamine

C6H16N4O — CID 162731451

IUPAC(Z)-N-(2-aminoethyl)-1-(aminomethoxy)prop-1-ene-1,3-diamine
SMILESNC/C=C(/NCCN)OCN
InChIInChI=1S/C6H16N4O/c7-2-1-6(11-5-9)10-4-3-8/h1,10H,2-5,7-9H2/b6-1-
InChIKeyHMMCRGWZHUVOSV-BHQIHCQQSA-N
MW160.22 g/mol
LogP-1.73
Rot. Bonds6

About (Z)-N-(2-aminoethyl)-1-(aminomethoxy)prop-1-ene-1,3-diamine

(Z)-N-(2-aminoethyl)-1-(aminomethoxy)prop-1-ene-1,3-diamine (PubChem CID 162731451) has the molecular formula C6H16N4O and a molecular weight of 160.22 g/mol. Its IUPAC name is (Z)-N-(2-aminoethyl)-1-(aminomethoxy)prop-1-ene-1,3-diamine.

Molecular Properties

Compound Name(Z)-N-(2-aminoethyl)-1-(aminomethoxy)prop-1-ene-1,3-diamine
PubChem CID162731451
Molecular FormulaC6H16N4O
Molecular Weight160.22 g/mol
Exact Mass160.13
IUPAC Name(Z)-N-(2-aminoethyl)-1-(aminomethoxy)prop-1-ene-1,3-diamine
SMILESNC/C=C(/NCCN)OCN
InChIInChI=1S/C6H16N4O/c7-2-1-6(11-5-9)10-4-3-8/h1,10H,2-5,7-9H2/b6-1-
InChIKeyHMMCRGWZHUVOSV-BHQIHCQQSA-N
XLogP-1.73
TPSA99.32 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-1.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2-aminoethyl)-1-(aminomethoxy)prop-1-ene-1,3-diamine?
The IUPAC name of (Z)-N-(2-aminoethyl)-1-(aminomethoxy)prop-1-ene-1,3-diamine (CID 162731451) is (Z)-N-(2-aminoethyl)-1-(aminomethoxy)prop-1-ene-1,3-diamine.
What is the SMILES notation for (Z)-N-(2-aminoethyl)-1-(aminomethoxy)prop-1-ene-1,3-diamine?
The canonical SMILES for (Z)-N-(2-aminoethyl)-1-(aminomethoxy)prop-1-ene-1,3-diamine is NC/C=C(/NCCN)OCN.
What is the InChIKey of (Z)-N-(2-aminoethyl)-1-(aminomethoxy)prop-1-ene-1,3-diamine?
The InChIKey is HMMCRGWZHUVOSV-BHQIHCQQSA-N. The full InChI is InChI=1S/C6H16N4O/c7-2-1-6(11-5-9)10-4-3-8/h1,10H,2-5,7-9H2/b6-1-.
What are the key properties of (Z)-N-(2-aminoethyl)-1-(aminomethoxy)prop-1-ene-1,3-diamine?
(Z)-N-(2-aminoethyl)-1-(aminomethoxy)prop-1-ene-1,3-diamine has a molecular weight of 160.22 g/mol, XLogP of -1.73, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2-aminoethyl)-1-(aminomethoxy)prop-1-ene-1,3-diamine is sourced from PubChem (CID 162731451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).